Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2203302

COc1cccc(CN2CCN(C(=O)c3ccc(C(=O)C(F)(F)F)s3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 6/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
FAAH O00519 2/20 0.53
SIGMAR1 Q99720 1/20 0.52
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
HDAC1 Q13547 1/20 0.49
ATM Q13315 1/20 0.49
GAA P10253 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17707610 0.97 HDAC6 (0.71) CYP2C9HDAC6MEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL17707558 0.85 SMN1; SMN2 (0.55) CYP2C9HDAC6MEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL2203304 0.84 HDAC6 (0.94) CYP2C9HDAC6MEN1KMT2AKDM4E
SCHEMBL17707631 0.82 SMN1; SMN2 (0.55) CYP2C9HDAC6MEN1KMT2AKDM4E
SCHEMBL17707644 0.81 HDAC6 (1.00) CYP2C9HDAC6MEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL2203425 0.80 KDM4E (0.56) CYP2C9HDAC6MEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL2201575 0.80 HDAC6 (0.53) CYP2C9HDAC6MEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL2207592 0.79 KDM4E (0.60) HDAC6KDM4EALDH1A1LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2204838 0.79 KDM4E (0.57) CYP2C9HDAC6MEN1KMT2AKDM4E
SCHEMBL2203308 0.78 HDAC6 (0.60) CYP2C9HDAC6MEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 CYP2C9 2067/4885HDAC6 6/4885MEN1 4272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.